5-[2-[(5-chloro-2-pyridinyl)oxy]ethylamino]pyrazine-2-carbonitrile

C12H10ClN5O — CID 133491517

IUPAC5-[2-[(5-chloro-2-pyridinyl)oxy]ethylamino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCCOc2ccc(Cl)cn2)cn1
InChIInChI=1S/C12H10ClN5O/c13-9-1-2-12(18-6-9)19-4-3-15-11-8-16-10(5-14)7-17-11/h1-2,6-8H,3-4H2,(H,15,17)
InChIKeyUIEXCQYSVRCPDT-UHFFFAOYSA-N
MW275.70 g/mol
LogP1.89
Rot. Bonds5

About 5-[2-[(5-chloro-2-pyridinyl)oxy]ethylamino]pyrazine-2-carbonitrile

5-[2-[(5-chloro-2-pyridinyl)oxy]ethylamino]pyrazine-2-carbonitrile (PubChem CID 133491517) has the molecular formula C12H10ClN5O and a molecular weight of 275.70 g/mol. Its IUPAC name is 5-[2-[(5-chloro-2-pyridinyl)oxy]ethylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-[(5-chloro-2-pyridinyl)oxy]ethylamino]pyrazine-2-carbonitrile
PubChem CID133491517
Molecular FormulaC12H10ClN5O
Molecular Weight275.70 g/mol
Exact Mass275.06
IUPAC Name5-[2-[(5-chloro-2-pyridinyl)oxy]ethylamino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCCOc2ccc(Cl)cn2)cn1
InChIInChI=1S/C12H10ClN5O/c13-9-1-2-12(18-6-9)19-4-3-15-11-8-16-10(5-14)7-17-11/h1-2,6-8H,3-4H2,(H,15,17)
InChIKeyUIEXCQYSVRCPDT-UHFFFAOYSA-N
XLogP1.89
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]pyrazine-2-carbonitrile
CID 133491410
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,2-dimethylpropan-1-amine
CID 115697912
5-(2-phenylethylamino)pyrazine-2-carbonitrile
CID 63658915
5-(3-methylbutylamino)pyrazine-2-carbonitrile
CID 63660331
5-[(3-chlorophenyl)methylamino]pyrazine-2-carbonitrile
CID 63658175
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyanocyclopentane-1-carboxamide
CID 71969643
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine
CID 115876783
6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile
CID 62349619
5-[2-(1-methylpyrazol-3-yl)ethylamino]pyrazine-2-carbonitrile
CID 104918240
2-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropanamide
CID 119900750
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine
CID 115697129
5-[2-(cycloheptylamino)ethylamino]pyrazine-2-carbonitrile
CID 115306779

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(5-chloro-2-pyridinyl)oxy]ethylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[2-[(5-chloro-2-pyridinyl)oxy]ethylamino]pyrazine-2-carbonitrile (CID 133491517) is 5-[2-[(5-chloro-2-pyridinyl)oxy]ethylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[2-[(5-chloro-2-pyridinyl)oxy]ethylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[2-[(5-chloro-2-pyridinyl)oxy]ethylamino]pyrazine-2-carbonitrile is N#Cc1cnc(NCCOc2ccc(Cl)cn2)cn1.
What is the InChIKey of 5-[2-[(5-chloro-2-pyridinyl)oxy]ethylamino]pyrazine-2-carbonitrile?
The InChIKey is UIEXCQYSVRCPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O/c13-9-1-2-12(18-6-9)19-4-3-15-11-8-16-10(5-14)7-17-11/h1-2,6-8H,3-4H2,(H,15,17).
What are the key properties of 5-[2-[(5-chloro-2-pyridinyl)oxy]ethylamino]pyrazine-2-carbonitrile?
5-[2-[(5-chloro-2-pyridinyl)oxy]ethylamino]pyrazine-2-carbonitrile has a molecular weight of 275.70 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(5-chloro-2-pyridinyl)oxy]ethylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133491517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).